HSE for metals

Queries about input and output files, running specific calculations, etc.


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rgc
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HSE for metals

#1 Post by rgc » Wed Sep 29, 2010 10:31 am

Could anyone share their experience, or point me to a discussion in the literature, about the performance of screened hybrid functionals (e.g. HSE06 in VASP) in the description of metallic systems?

I am interested in the agreement with experiments in terms of electronic structure, lattice parameters, defect formation energies, cohesive energies, etc.

Many thanks.
Last edited by rgc on Wed Sep 29, 2010 10:31 am, edited 1 time in total.

support_vasp
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Re: HSE for metals

#2 Post by support_vasp » Wed Sep 11, 2024 2:30 pm

Hi,

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